N-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfamoyl]propan-2-amine

C13H18N4O2S — CID 114810007

IUPACN-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfamoyl]propan-2-amine
SMILESCC(C)NS(=O)(=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C13H18N4O2S/c1-10(2)17-20(18,19)15-9-11-3-5-12(6-4-11)13-7-8-14-16-13/h3-8,10,15,17H,9H2,1-2H3,(H,14,16)
InChIKeyNECYLJGPBZYMKO-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.41
Rot. Bonds6

About N-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfamoyl]propan-2-amine

N-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfamoyl]propan-2-amine (PubChem CID 114810007) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfamoyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfamoyl]propan-2-amine
PubChem CID114810007
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfamoyl]propan-2-amine
SMILESCC(C)NS(=O)(=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C13H18N4O2S/c1-10(2)17-20(18,19)15-9-11-3-5-12(6-4-11)13-7-8-14-16-13/h3-8,10,15,17H,9H2,1-2H3,(H,14,16)
InChIKeyNECYLJGPBZYMKO-UHFFFAOYSA-N
XLogP1.41
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine
CID 64629153
4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine
CID 61241748
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine
CID 61241369
(2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 61241755
2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 79506463
N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879315
2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine
CID 63696732
2-bromo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 62854367
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 55728144
1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 61239452
1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
CID 61241563
5-[4-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]-1H-pyrazole
CID 61453983

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfamoyl]propan-2-amine?
The IUPAC name of N-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfamoyl]propan-2-amine (CID 114810007) is N-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfamoyl]propan-2-amine.
What is the SMILES notation for N-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfamoyl]propan-2-amine?
The canonical SMILES for N-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfamoyl]propan-2-amine is CC(C)NS(=O)(=O)NCc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of N-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfamoyl]propan-2-amine?
The InChIKey is NECYLJGPBZYMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10(2)17-20(18,19)15-9-11-3-5-12(6-4-11)13-7-8-14-16-13/h3-8,10,15,17H,9H2,1-2H3,(H,14,16).
What are the key properties of N-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfamoyl]propan-2-amine?
N-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfamoyl]propan-2-amine has a molecular weight of 294.38 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfamoyl]propan-2-amine is sourced from PubChem (CID 114810007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).